2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid


Chemical Name: 2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid
CAS Number: 32004-67-4
Product Number: AG00BXTE(AGN-PC-0JLZ8H)
Synonyms:
MDL No: MFCD00869764
Molecular Formula: C20H17FO2S
Molecular Weight: 340.4112

Identification/Properties


Computed Properties
Molecular Weight:
340.412g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
340.093g/mol
Monoisotopic Mass:
340.093g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
546
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H361-H317
Precautionary Statements:
P501-P261-P272-P270-P202-P201-P264-P280-P302+P352-P308+P313-P362+P364-P333+P313-P301+P312+P330-P405
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Sulindac Sulfide, a derivative of the nonsteroidal anti-inflammatory drug sulindac, plays a crucial role in chemical synthesis as a versatile building block. Its unique structure and properties make it a valuable reagent in the development of novel compounds and pharmaceuticals. In synthetic chemistry, Sulindac Sulfide is frequently utilized in the creation of bioactive molecules through various reactions such as oxidations, reductions, and functional group transformations. Its ability to undergo selective chemical modifications enables the synthesis of complex organic compounds with specific properties and functionalities. By incorporating Sulindac Sulfide into synthetic pathways, chemists can access a diverse range of molecular structures for potential applications in drug discovery, materials science, and medicinal chemistry.